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EC number: 701-135-4 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Testing was conducted between the 15th July 2014 and 2nd February 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, oligomeric reaction product with
(chloromethyl)oxirane
CAS RN: 30499-70-8
Appearance / Physical State: Clear colorless liquid
Batch: AAB1584600
Purity: 58% C15H26O6 + 25% C12H22O5
Expiry Date: 31 October 2015
Storage Conditions: Room temperature in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- Pow
- Partition coefficient:
- >= 2.93 - <= 2 530
- Remarks on result:
- other: Temp. and pH are not available
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 0.467 - <= 3.4
- Remarks on result:
- other: Temp. and pH are not available
- Details on results:
- Partition coefficient of sample
Overall log10 Pow: In the range 0.467 to 3.40
Partition coefficient: In the range 2.93 to 2.53E+03
Using area normalization, 90.3% of the test item showed a log10 Pow of less than 3.0. - Conclusions:
- The partition coefficient of the test item has been determined to be in the range 2.93 to 2.53 E+03, log10 Pow in the range 0.467 to 3.40. Using area normalization, 90.3% of the test item showed a log10 Pow value of less than 3.0.
- Executive summary:
Partition Coefficient (n-Octanol/Water): In the range 2.93 to 2.53 x 103, log10Powin the range 0.467 to 3.40, using the HPLC method, designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004. Using area normalization, 90.3% of the test item showed a log10Powvalue of less than 3.0.
Reference
Partition coefficient of sample
The retention times, capacity factors and log10Powvalues determined for the sample are shown in the following table:
Peak No. |
Injection |
Retention Time (mins) |
Capacity Factor (k′) |
Log10k' |
Log10Pow |
Mean |
Pow |
% by Area Normalization |
1 |
1 |
2.383 |
0.276 |
-0.560 |
0.467 |
0.467 |
2.93 |
6.8 |
2 |
2.383 |
0.276 |
-0.560 |
0.467 |
||||
2 |
1 |
2.567 |
0.374 |
-0.427 |
0.958 |
0.958 |
9.07 |
15.6 |
2 |
2.567 |
0.374 |
-0.427 |
0.958 |
||||
3 |
1 |
2.917 |
0.561 |
-0.251 |
1.61 |
1.61 |
40.9 |
13.8 |
2 |
2.917 |
0.561 |
-0.251 |
1.61 |
||||
4 |
1 |
3.233 |
0.731 |
-0.136 |
2.04 |
2.04 |
109 |
47.0 |
2 |
3.233 |
0.731 |
-0.136 |
2.04 |
||||
5 |
1 |
3.550 |
0.900 |
-0.046 |
2.37 |
2.37 |
236 |
5.8 |
2 |
3.550 |
0.900 |
-0.046 |
2.37 |
||||
6 |
1 |
3.983 |
1.132 |
0.054 |
2.74 |
2.74 |
544 |
1.3 |
2 |
3.967 |
1.123 |
0.050 |
2.73 |
||||
7 |
1 |
4.533 |
1.426 |
0.154 |
3.11 |
3.11 |
1.29 x 103 |
7.2 |
2 |
4.517 |
1.418 |
0.152 |
3.10 |
||||
8 |
1 |
5.067 |
1.712 |
0.233 |
3.41 |
3.40 |
2.53 x 103 |
2.5 |
2 |
5.050 |
1.703 |
0.231 |
3.40 |
Description of key information
The partition coefficient of the test item has been determined to be in the range 2.93 to 2.53 E+03, log10 Pow in the range 0.467 to 3.40. Using area normalization, 90.3% of the test item showed a log10 Pow value of less than 3.0.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.467
- at the temperature of:
- 20 °C
Additional information
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